2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine

C12H8BrClFNO — CID 155190515

IUPAC2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine
SMILESFc1cc(Cl)ccc1COc1cccc(Br)n1
InChIInChI=1S/C12H8BrClFNO/c13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15/h1-6H,7H2
InChIKeyJCOBZUDDQNLDTA-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.22
Rot. Bonds3

About 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine

2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine (PubChem CID 155190515) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine
PubChem CID155190515
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine
SMILESFc1cc(Cl)ccc1COc1cccc(Br)n1
InChIInChI=1S/C12H8BrClFNO/c13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15/h1-6H,7H2
InChIKeyJCOBZUDDQNLDTA-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine?
The IUPAC name of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine (CID 155190515) is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine.
What is the SMILES notation for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine?
The canonical SMILES for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine is Fc1cc(Cl)ccc1COc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine?
The InChIKey is JCOBZUDDQNLDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15/h1-6H,7H2.
What are the key properties of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine?
2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine has a molecular weight of 316.56 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine is sourced from PubChem (CID 155190515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).